CID 145709175

1608143-73-2

Structural Information

Molecular Formula
C8H10F2O4
SMILES
COC(=O)[C@@H]1CC(C[C@H]1C(=O)O)(F)F
InChI
InChI=1S/C8H10F2O4/c1-14-7(13)5-3-8(9,10)2-4(5)6(11)12/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5-/m1/s1
InChIKey
BRENZFDSACTDDA-RFZPGFLSSA-N
Compound name
(1R,2R)-4,4-difluoro-2-methoxycarbonylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.05472 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.06200 138.5
[M+Na]+ 231.04394 146.6
[M-H]- 207.04744 138.4
[M+NH4]+ 226.08854 160.4
[M+K]+ 247.01788 145.7
[M+H-H2O]+ 191.05198 133.4
[M+HCOO]- 253.05292 156.8
[M+CH3COO]- 267.06857 181.3
[M+Na-2H]- 229.02939 139.3
[M]+ 208.05417 135.8
[M]- 208.05527 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.